methyl 3-(3-carbamimidoylphenyl)-2-[6-(1-carbamimidoylpiperidin-4-yl)oxy-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]propanoate

Systemtic Name: methyl 3-(3-carbamimidoylphenyl)-2-[6-(1-carbamimidoylpiperidin-4-yl)oxy-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]propanoate Openeye Name: methyl 3-(3-carbamimidoylphenyl)-2-[6-[(1-carbamimidoyl-4-piperidyl)oxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]propanoate CAS Name: 3-(3-carbamimidoylphenyl)-2-[6-[(1-carbamimidoyl-4-piperidinyl)oxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]propanoic acid methyl ester IUPAC Name: methyl 3-(3-carbamimidoylphenyl)-2-[6-(1-carbamimidoylpiperidin-4-yl)oxy-1-oxo-3,4-dihydroisoquinolin-2-yl]propanoate Traditional Name: 3-(3-amidinophenyl)-2-[6-[(1-amidino-4-piperidyl)oxy]-1-keto-3,4-dihydroisoquinolin-2-yl]propionic acid methyl ester Formula: C26H32N6O4 MolecularWeight: 492.57008

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC(=C1)C(=N)N)N2CCC3=C(C2=O)C=CC(=C3)OC4CCN(CC4)C(=N)N

Isomeric SMILES

COC(=O)C(CC1=CC=CC(=C1)C(=N)N)N2CCC3=C(C2=O)C=CC(=C3)OC4CCN(CC4)C(=N)N

InChI

InChI=1S/C26H32N6O4/c1-35-25(34)22(14-16-3-2-4-18(13-16)23(27)28)32-12-7-17-15-20(5-6-21(17)24(32)33)36-19-8-10-31(11-9-19)26(29)30/h2-6,13,15,19,22H,7-12,14H2,1H3,(H3,27,28)(H3,29,30)